5-azanyl-3-[(Z)-1-cyano-2-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(3-iodo-5-methoxy-4-propargyloxy-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C23H16IN5O2 MolecularWeight: 521.30991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)I)OCC#C

InChI

InChI=1S/C23H16IN5O2/c1-3-9-31-22-19(24)11-15(12-20(22)30-2)10-16(13-25)21-18(14-26)23(27)29(28-21)17-7-5-4-6-8-17/h1,4-8,10-12H,9,27H2,2H3/b16-10+